1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide

C16H22N2O5S2 — CID 171136980

IUPAC1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)C=CCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O5S2/c1-24(20,21)13-7-11-17-16(19)15-10-5-6-12-18(15)25(22,23)14-8-3-2-4-9-14/h2-4,7-9,13,15H,5-6,10-12H2,1H3,(H,17,19)
InChIKeyXLZLFRPOQXSLQF-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.90
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide (PubChem CID 171136980) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide
PubChem CID171136980
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)C=CCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22N2O5S2/c1-24(20,21)13-7-11-17-16(19)15-10-5-6-12-18(15)25(22,23)14-8-3-2-4-9-14/h2-4,7-9,13,15H,5-6,10-12H2,1H3,(H,17,19)
InChIKeyXLZLFRPOQXSLQF-UHFFFAOYSA-N
XLogP0.90
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
N-(2-amino-2-methylpropyl)-1-(benzenesulfonyl)piperidine-2-carboxamide;hydrochloride
CID 119626015
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide
CID 120827222
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]piperidine-2-carboxamide
CID 78781172
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120652440
(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide (CID 171136980) is 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide is CS(=O)(=O)C=CCNC(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide?
The InChIKey is XLZLFRPOQXSLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-24(20,21)13-7-11-17-16(19)15-10-5-6-12-18(15)25(22,23)14-8-3-2-4-9-14/h2-4,7-9,13,15H,5-6,10-12H2,1H3,(H,17,19).
What are the key properties of 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-methylsulfonylprop-2-enyl)piperidine-2-carboxamide is sourced from PubChem (CID 171136980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).